Pharmacology Is it possible to determine its properties by the structural formula of a substance when ingested?

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Antony10

(@antony10)

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Topic starter 23/04/2022 2:11 pm

Is it possible to determine its properties by the structural formula of a substance when ingested? The ability to bind to receptors, be an agonist/antagonist, etc. If so, how?

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Argentum

(@argentum)

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23/04/2022 9:50 pm

in theory, modern computer programs can do this

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morphism

(@morphism)

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24/04/2022 7:17 am

For sure, there are Quantitative structure–activity relationship models (QSAR models), which can predict that.

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